methyl 6-[(2R)-2-[(2-thiophen-3-ylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[(2R)-2-[(2-thiophen-3-ylethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[(2R)-2-[[[2-(3-thienyl)acetyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]pyridine-3-carboxylate CAS Name: 6-[(2R)-2-[[[1-oxo-2-(3-thiophenyl)ethyl]amino]methyl]-2,3-dihydrobenzofuran-7-yl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(2R)-2-[[(2-thiophen-3-ylacetyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate Traditional Name: 6-[(2R)-2-[[[2-(3-thienyl)acetyl]amino]methyl]coumaran-7-yl]nicotinic acid methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C2=C3C(=CC=C2)CC(O3)CNC(=O)CC4=CSC=C4

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C2=C3C(=CC=C2)C[C@@H](O3)CNC(=O)CC4=CSC=C4

InChI

InChI=1S/C22H20N2O4S/c1-27-22(26)16-5-6-19(23-11-16)18-4-2-3-15-10-17(28-21(15)18)12-24-20(25)9-14-7-8-29-13-14/h2-8,11,13,17H,9-10,12H2,1H3,(H,24,25)/t17-/m1/s1